SCHEMBL16381772

SCHEMBL16381772

O=NC(=O)/C=C/c1ccc(O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 3/20 0.63
▸ F3 P13726 2/20 0.63
▸ CYP2C9 P11712 2/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ HSD11B1 P28845 1/20 0.63
▸ AKR1B1 P15121 3/20 0.61
▸ ESR1 P03372 3/20 0.61
▸ ESR2 Q92731 3/20 0.61
▸ AKR1B10 O60218 2/20 0.61
▸ CA12 O43570 2/20 0.61
▸ CA1 P00915 2/20 0.61
▸ CA2 P00918 2/20 0.61
▸ CA7 P43166 2/20 0.61
▸ CA9 Q16790 2/20 0.61
▸ CA14 Q9ULX7 2/20 0.61
▸ PKM P14618 2/20 0.61
▸ CA3 P07451 1/20 0.61
▸ CA4 P22748 1/20 0.61
▸ CA6 P23280 1/20 0.61
▸ DPP4 P27487 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15943011 0.83 HCAR2 (0.61) TYRCYP2C9AKR1B1ESR1ESR2
SCHEMBL18653116 0.82 ESR1 (0.51) CYP2D6ESR1ESR2MAOBHDAC1
SCHEMBL15483131 0.82 HDAC1 (0.54) TYRF3CYP2C9CYP2D6HSD11B1
SCHEMBL22882015 0.82 HDAC1 (0.51) TYRF3CYP2C9CYP2D6HSD11B1
SCHEMBL16588259 0.81 HDAC1 (0.61) F3CYP2C9CYP2D6HCAR2MAOB
SCHEMBL5432585 0.79 TYR (0.57) TYRF3CYP2C9CYP2D6HSD11B1
SCHEMBL2146080 0.78 TYR (1.00) TYRF3CYP2C9CYP2D6HSD11B1
SCHEMBL2198475 0.78 TYR (1.00) TYRF3CYP2C9CYP2D6HSD11B1
SCHEMBL3580956 0.78 TYR (1.00) TYRF3CYP2C9CYP2D6HSD11B1
Coumaric Acid SCHEMBL28320218 0.78 ESR1 (0.84) TYRF3CYP2C9CYP2D6HSD11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150004142-A1 INCORPORATION OF CULTURED BILBERRY CELLS IN COSMETICS, DIETARY SUPPLEMENTS, AND/OR FUNCTIONAL FOODS DIANA U.S. INC. 2015-01-01 — — US disclosed
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